Compound Detail
CHEMBL3325946
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3325946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXLGEPHYABPLJL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
338.5
MW (Da)
3.35
ALogP
3
HBA
2
HBD
44.0
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Yellow fever virus CHEMBL613731 | EC50 | 4.06 | 4.06 | 87000.0 | 1 |
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 4.03 | 4.03 | 94000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Yellow fever virus | EC50 | = | 87000.0 | nM | 4.06 | Antiviral activity against Yellow fever virus infected in BHK21 cells assessed a... | 25082514 |
| Bovine viral diarrhea virus 1 | EC50 | = | 94000.0 | nM | 4.03 | Antiviral activity against Bovine viral diarrhea virus infected in MDBK cells as... | 25082514 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25082514 | 10.1016/j.bmc.2014.06.043 | ADMET | 2 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | MT4 | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Human immunodeficiency virus 1 | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Bovine viral diarrhea virus 1 | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | NON-PROTEIN TARGET | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Yellow fever virus | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Reovirus sp. | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Coxsackievirus B5 | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Poliovirus 1 | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Respiratory syncytial virus | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Vesicular stomatitis virus | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Vaccinia virus | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Human alphaherpesvirus 1 | 1 |
Data from ChEMBL 36 via Core Engine